1-(difluoromethyl)-4-propan-2-yloxypyrazole

C7H10F2N2O — CID 155363887

IUPAC1-(difluoromethyl)-4-propan-2-yloxypyrazole
SMILESCC(C)Oc1cnn(C(F)F)c1
InChIInChI=1S/C7H10F2N2O/c1-5(2)12-6-3-10-11(4-6)7(8)9/h3-5,7H,1-2H3
InChIKeyVZZZYOJBYKJVGC-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.07
Rot. Bonds3

About 1-(difluoromethyl)-4-propan-2-yloxypyrazole

1-(difluoromethyl)-4-propan-2-yloxypyrazole (PubChem CID 155363887) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-propan-2-yloxypyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-propan-2-yloxypyrazole
PubChem CID155363887
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name1-(difluoromethyl)-4-propan-2-yloxypyrazole
SMILESCC(C)Oc1cnn(C(F)F)c1
InChIInChI=1S/C7H10F2N2O/c1-5(2)12-6-3-10-11(4-6)7(8)9/h3-5,7H,1-2H3
InChIKeyVZZZYOJBYKJVGC-UHFFFAOYSA-N
XLogP2.07
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-propan-2-yloxypyrazole?
The IUPAC name of 1-(difluoromethyl)-4-propan-2-yloxypyrazole (CID 155363887) is 1-(difluoromethyl)-4-propan-2-yloxypyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-propan-2-yloxypyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-propan-2-yloxypyrazole is CC(C)Oc1cnn(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-4-propan-2-yloxypyrazole?
The InChIKey is VZZZYOJBYKJVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-5(2)12-6-3-10-11(4-6)7(8)9/h3-5,7H,1-2H3.
What are the key properties of 1-(difluoromethyl)-4-propan-2-yloxypyrazole?
1-(difluoromethyl)-4-propan-2-yloxypyrazole has a molecular weight of 176.17 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-propan-2-yloxypyrazole is sourced from PubChem (CID 155363887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).